1. Recurrent model of acute toxicity in homologous series of organic compounds
- Author
-
V. Yu. Grigor’ev and O. A. Raevskii
- Subjects
Pharmacology ,Homologous series ,chemistry.chemical_compound ,Quantitative structure–activity relationship ,Chemistry ,Drug Discovery ,Pharmacology toxicology ,Biological objects ,Extrapolation ,Biological system ,Acute toxicity - Abstract
A simple recurrent equation is proposed as a model describing acute toxicity in homologous series of organic compounds in relation to various biological objects. The recurrent model of toxicity provided better extrapolation than linear and parabolic models. Plotting of The coefficients of recurrent equations plotted on planes defined by these coefficients for types of chemical compounds allowed the nonspecific or specific nature of toxicity in homologous series to be identified. Similar visualization in relation to different types of biological objects allowed toxicological relatedness to be identified on the basis of the distances between them. These results may provide grounds for creating computer programs predicting the acute toxicities of new chemical compounds on the basis of QSAR approaches.
- Published
- 2011
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